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A structural study of a C3H3 species coadsorbed with CO on Pd(1 1 1)
Authors:MJ Knight  F Allegretti  EA Krger  M Polcik  CLA Lamont  DP Woodruff
Institution:aPhysics Department, University of Warwick, Coventry, W Midlands CV4 7AL, UK;bFritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany;cDepartment of Chemical & Biological Sciences, University of Huddersfield, Queensgate, Huddersfield HD1 3DH, UK
Abstract:The combination of chemical-state-specific C 1s scanned-energy mode photoelectron diffraction (PhD) and O K-edge near-edge X-ray absorption fine structure (NEXAFS) has been used to determine the local adsorption geometry of the coadsorbed C3H3 and CO species formed on Pd(1 1 1) by dissociation of molecular furan. CO is found to adopt the same geometry as in the Pd(1 1 1)c(4 × 2)-CO phase, occupying the two inequivalent three-fold coordinated hollow sites with the C–O axis perpendicular to the surface. C3H3 is found to lie with its molecular plane almost parallel to the surface, most probably with the two ‘outer’ C atoms in equivalent off-atop sites, although the PhD analysis formally fails to distinguish between two distinct local adsorption sites.
Keywords:Surface structure  Photoelectron diffraction  Palladium  Furan  Hydrocarbons
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